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	hartrees
Energy at 0K	-637.314355
Energy at 298.15K	-637.316598
HF Energy	-637.314355
Nuclear repulsion energy	142.535487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3151	6.64
2	A'	3288	3112	4.02
3	A'	1764	1670	35.83
4	A'	1376	1303	18.66
5	A'	1274	1206	14.92
6	A'	1069	1012	80.77
7	A'	784	742	16.22
8	A'	638	604	26.50
9	A'	195	184	1.69
10	A"	952	901	0.99
11	A"	785	743	63.58
12	A"	455	431	9.32

Atom	x (Å)	y (Å)
C1	0.000	0.894
C2	1.255	0.473
Cl3	-1.399	-0.210
F4	1.600	-0.856
H5	-0.260	1.940
H6	2.111	1.133

	C1	C2	Cl3	F4	H5	H6
C1		1.3239	1.7823	2.3715	1.0780	2.1243
C2	1.3239		2.7408	1.3736	2.1089	1.0805
Cl3	1.7823	2.7408		3.0676	2.4337	3.7580
F4	2.3715	1.3736	3.0676		3.3586	2.0542
H5	1.0780	2.1089	2.4337	3.3586		2.5042
H6	2.1243	1.0805	3.7580	2.0542	2.5042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.064	C1	C2	H6	123.818
C2	C1	Cl3	123.176	C2	C1	H5	122.480
Cl3	C1	H5	114.344	F4	C2	H6	113.118

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: mPW1PW91/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.453
2	C	0.227
3	Cl	0.094
4	F	-0.304
5	H	0.232
6	H	0.204

	x	y	z	Total
	1.082	2.624	0.000	2.838
CHELPG
AIM
ESP

	x	y	z
x	6.601	0.518	0.000
y	0.518	4.129	0.000
z	0.000	0.000	1.673

<r²>	106.717
(<r²>)^1/2	10.330